1-piperidin-1-ylsulfonylbenzotriazole

C11H14N4O2S — CID 2216937

IUPAC1-piperidin-1-ylsulfonylbenzotriazole
SMILESO=S(=O)(N1CCCCC1)n1nnc2ccccc21
InChIInChI=1S/C11H14N4O2S/c16-18(17,14-8-4-1-5-9-14)15-11-7-3-2-6-10(11)12-13-15/h2-3,6-7H,1,4-5,8-9H2
InChIKeyBLLQEGCELBSTSI-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.01
Rot. Bonds2

About 1-piperidin-1-ylsulfonylbenzotriazole

1-piperidin-1-ylsulfonylbenzotriazole (PubChem CID 2216937) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonylbenzotriazole.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonylbenzotriazole
PubChem CID2216937
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1-piperidin-1-ylsulfonylbenzotriazole
SMILESO=S(=O)(N1CCCCC1)n1nnc2ccccc21
InChIInChI=1S/C11H14N4O2S/c16-18(17,14-8-4-1-5-9-14)15-11-7-3-2-6-10(11)12-13-15/h2-3,6-7H,1,4-5,8-9H2
InChIKeyBLLQEGCELBSTSI-UHFFFAOYSA-N
XLogP1.01
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonylbenzotriazole?
The IUPAC name of 1-piperidin-1-ylsulfonylbenzotriazole (CID 2216937) is 1-piperidin-1-ylsulfonylbenzotriazole.
What is the SMILES notation for 1-piperidin-1-ylsulfonylbenzotriazole?
The canonical SMILES for 1-piperidin-1-ylsulfonylbenzotriazole is O=S(=O)(N1CCCCC1)n1nnc2ccccc21.
What is the InChIKey of 1-piperidin-1-ylsulfonylbenzotriazole?
The InChIKey is BLLQEGCELBSTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c16-18(17,14-8-4-1-5-9-14)15-11-7-3-2-6-10(11)12-13-15/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 1-piperidin-1-ylsulfonylbenzotriazole?
1-piperidin-1-ylsulfonylbenzotriazole has a molecular weight of 266.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonylbenzotriazole is sourced from PubChem (CID 2216937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).